SCHEMBL4257865

SCHEMBL4257865

CC(C)NS(=O)(=O)c1ccc(Nc2cc(N(C)CC3CCN(C(=O)OC(C)(C)C)CC3)ncn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.49
LIMK2 P53671 1/20 0.48
TBK1 Q9UHD2 1/20 0.44
MMP13 P45452 4/20 0.44
TGFBR1 P36897 2/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL389589 0.91 GPR119 (0.51) GPR119LIMK2TBK1TGFBR1
SCHEMBL387040 0.90 GPR119 (0.58) GPR119LIMK2
SCHEMBL389354 0.90 GPR119 (0.49) GPR119LIMK2TBK1TGFBR1
SCHEMBL391170 0.89 GPR119 (0.48) GPR119LIMK2TBK1
SCHEMBL391594 0.89 GPR119 (0.51) GPR119LIMK2TBK1TGFBR1JAK2
SCHEMBL385723 0.89 GPR119 (0.51) GPR119LIMK2TBK1TGFBR1JAK2
SCHEMBL388932 0.88 GPR119 (0.50) GPR119LIMK2TBK1TGFBR1JAK2
SCHEMBL388222 0.85 GPR119 (0.48) GPR119LIMK2TBK1TGFBR1JAK2
SCHEMBL391745 0.85 TBK1 (0.45) GPR119LIMK2TBK1TGFBR1
SCHEMBL389675 0.84 GPR119 (0.46) GPR119LIMK2TBK1TGFBR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036434-A1 Substituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2009-02-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090036434-A1 Substituted aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP11B1 GPR119 31/4885LIMK2 4556/4885TBK1 4689/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.